NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1669 8.1081 120.1767 61.0793 39.5644 174.6956 2 V 3.9080 8.0713 135.0000 59.5801 37.0749 173.2971 3 C 4.3392 9.8952 112.9081 55.7606 44.1014 175.3108 4 H 5.7512 8.2844 117.0732 53.9623 30.6425 172.4181 5 T 4.7622 7.6068 119.7746 64.4926 70.6201 178.0076 6 T 4.3722 6.1772 129.9865 62.7803 71.2557 172.2652 7 A 4.2769 9.3603 119.4640 53.8879 16.8914 177.4918 8 T 3.1222 7.3458 119.7058 62.3356 66.1467 171.1263 9 S 4.5556 7.7191 113.5914 56.3619 62.0030 169.2783 10 P 4.3931 0.0000 0.0000 63.8111 32.1216 178.0962 11 I 3.1020 7.0651 119.1544 63.3838 35.9998 173.4542 12 S 4.6028 8.5119 111.4620 59.2231 63.9224 176.8097 13 A 3.7656 8.7427 123.1834 52.3458 15.6849 184.5725 14 V 2.5759 6.6924 110.1360 60.2436 34.8405 174.3920 15 T 4.3275 8.0977 109.0085 62.8407 67.5216 172.2230 16 C 4.5590 8.2377 117.0127 55.1944 41.8309 170.4984 17 P 4.6313 0.0000 0.0000 62.5856 33.2755 172.8460 18 P 4.3767 0.0000 0.0000 62.6514 29.8199 180.2265 19 G 3.9655 9.7343 106.7129 44.6892 0.0000 172.9584 20 E 3.5460 8.7432 118.0723 56.2629 26.5290 174.3109 21 N 5.1574 7.6064 112.5201 54.7108 37.3767 175.4384 22 L 4.0109 9.5795 117.2078 55.7547 42.1801 174.9299 23 C 4.6872 7.8805 120.8081 55.4151 42.1276 173.1597 24 Y 4.2547 8.5626 123.1020 57.5658 38.7473 175.1273 25 R 4.8563 8.7558 124.7613 54.4066 32.4152 174.5594 26 K 4.9993 8.6137 125.7956 56.4346 36.1891 175.4961 27 M 4.4046 9.7079 121.2834 55.7423 33.1181 176.5469 28 W 5.1878 7.7335 135.0000 58.5320 31.2557 175.4278 29 C 4.5553 7.5845 116.0344 60.1103 42.1002 176.7398 30 D 3.3700 6.7317 114.9429 53.5010 43.1265 174.8344 31 A 4.6045 5.8000 130.7841 52.2638 21.9229 176.7823 32 F 4.7816 6.9969 110.4503 56.4274 39.5286 176.4555 33 C 4.3593 7.7330 117.9586 58.0154 37.5613 172.7911 34 S 4.5289 8.0924 110.4515 58.5940 63.4249 174.3817 35 S 4.1912 7.7708 114.5581 59.1956 62.4307 169.9358 36 R 3.4647 8.8862 119.2779 57.8411 28.0312 178.9530 37 G 3.9581 8.5206 110.9458 46.8611 0.0000 172.3669 38 K 4.7697 8.2716 122.6628 56.2440 34.3981 177.2487 39 V 4.3722 7.7676 111.8994 59.0021 31.3569 175.0261 40 V 4.5659 7.5972 116.3962 59.5945 34.8467 174.2184 41 E 4.3377 8.8988 118.1275 59.4748 31.5178 177.8283 42 L 4.3515 5.8156 117.4493 58.9689 38.0074 175.5671 43 G 3.4564 6.1744 112.6222 44.9859 0.0000 171.6244 44 C 3.7887 6.3976 114.8131 57.8657 39.3451 172.7370 45 A 4.4521 8.1095 118.7955 50.2798 19.8885 175.3396 46 A 4.3703 7.9222 125.0236 52.7613 14.5925 179.0133 47 T 4.3997 8.2690 112.6552 62.0571 69.0408 174.4981 48 C 4.3933 8.5410 114.4856 56.9271 41.2131 170.7482 49 P 4.4096 0.0000 0.0000 62.7316 31.2075 176.9553 50 S 4.6174 7.9605 116.8855 57.7347 63.8733 170.8544 51 K 3.6023 7.4804 118.4601 57.2995 29.4164 175.7679 52 K 4.6862 8.2300 127.4579 54.4847 34.8999 173.6564 53 P 4.3336 0.0000 0.0000 63.4847 32.3201 179.1407 54 Y 3.4162 8.0838 117.4352 57.7843 41.0248 171.0516 55 E 3.0312 7.3477 112.8569 57.0431 30.7540 179.2337 56 E 4.7842 8.3798 123.6402 55.6423 34.8281 175.4162 57 V 4.6207 7.4570 120.2890 63.1537 34.7647 171.7495 58 T 3.9057 7.6035 113.4858 64.8543 72.7391 170.7431 59 C 5.0423 8.2149 117.2220 57.0172 44.3416 173.9645 60 C 5.1366 8.8766 128.8847 57.3362 42.8570 173.5096 61 S 6.3000 7.5524 126.5288 60.4505 63.1457 176.5053 62 T 4.6152 7.3615 104.1237 62.8107 69.5255 173.5134 63 D 4.8246 8.8445 122.8092 54.7113 39.8646 174.4830 64 K 4.1257 7.0470 117.9004 56.0197 34.7960 174.2506 65 C 6.3000 7.8635 130.9136 57.0995 39.0576 175.0101 66 N 4.6996 6.7408 114.8525 50.8087 37.6101 173.0752 67 P 4.9097 0.0000 0.0000 65.1921 32.9749 174.8497 68 H 4.7721 8.1680 112.2743 55.1363 30.1810 172.9672 69 P 4.5039 0.0000 0.0000 63.2541 32.8296 175.1386 70 K 3.6817 9.2738 115.9594 54.2240 31.6683 179.8156 71 Q 3.6116 8.5280 125.0424 56.3567 28.0001 172.7246 72 R 4.6199 8.2687 117.7811 55.1875 33.9032 174.1578 73 P 4.6016 0.0000 0.0000 60.6239 31.1718 176.5503 74 G 3.5857 8.0621 112.2949 47.1857 0.0000 172.6138 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 I 8.11 4.17 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 2.05 0.90 0.00 0.00 2 V 8.07 3.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.93 0.00 0.00 3 C 9.90 4.34 0.00 3.02 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.28 5.75 0.00 3.05 3.20 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.61 4.76 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 6 T 6.18 4.37 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 7 A 9.36 4.28 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.35 3.12 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 9 S 7.72 4.56 0.00 4.04 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.39 0.00 2.24 2.28 0.00 3.93 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 11 I 7.07 3.10 2.10 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.89 0.96 0.00 0.00 12 S 8.51 4.60 0.00 3.76 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.74 3.77 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 6.69 2.58 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 15 T 8.10 4.33 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 16 C 8.24 4.56 0.00 3.32 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.63 0.00 2.20 2.01 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 18 P 0.00 4.38 0.00 2.42 1.73 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 19 G 9.73 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.74 3.55 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 21 N 7.61 5.16 0.00 2.86 3.26 0.00 0.00 6.64 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 9.58 4.01 0.00 1.69 2.01 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 23 C 7.88 4.69 0.00 2.75 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.56 4.25 0.00 2.98 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.76 4.86 0.00 1.86 1.78 0.00 2.85 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 26 K 8.61 5.00 0.00 1.92 1.74 0.00 1.68 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.48 1.94 7.81 27 M 9.71 4.40 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.58 0.00 28 W 7.73 5.19 0.00 3.38 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.58 4.56 0.00 2.75 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 6.73 3.37 0.00 1.58 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 5.80 4.60 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.00 4.78 0.00 3.15 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.73 4.36 0.00 3.02 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.09 4.53 0.00 4.05 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.77 4.19 0.00 3.96 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.89 3.46 0.00 2.03 1.45 0.00 3.28 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 37 G 8.52 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.27 4.77 0.00 1.74 1.78 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.54 7.81 39 V 7.77 4.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 40 V 7.60 4.57 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.87 0.00 0.00 41 E 8.90 4.34 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 42 L 5.82 4.35 0.00 1.78 2.01 0.70 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 43 G 6.17 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 6.40 3.79 0.00 2.97 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.11 4.45 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.92 4.37 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.27 4.40 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 48 C 8.54 4.39 0.00 3.24 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.41 0.00 2.16 2.11 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 50 S 7.96 4.62 0.00 4.17 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.48 3.60 0.00 1.80 1.29 0.00 1.38 0.00 0.00 0.99 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.01 1.21 7.81 52 K 8.23 4.69 0.00 1.61 1.72 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.45 7.81 53 P 0.00 4.33 0.00 2.21 2.13 0.00 3.94 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 54 Y 8.08 3.42 0.00 3.22 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.35 3.03 0.00 1.16 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.53 0.00 56 E 8.38 4.78 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 57 V 7.46 4.62 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.18 0.00 0.00 58 T 7.60 3.91 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 59 C 8.21 5.04 0.00 2.95 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.88 5.14 0.00 2.96 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.55 6.30 0.00 4.21 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.36 4.62 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 63 D 8.84 4.82 0.00 2.73 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.05 4.13 0.00 1.76 1.69 0.00 1.96 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.16 1.20 7.81 65 C 7.86 6.30 0.00 3.02 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 6.74 4.70 0.00 2.74 2.80 0.00 0.00 5.77 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.91 0.00 2.20 2.11 0.00 3.23 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 68 H 8.17 4.77 0.00 3.38 3.30 0.00 5.55 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.50 0.00 2.26 2.23 0.00 4.37 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 70 K 9.27 3.68 0.00 1.94 1.77 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.45 7.81 71 Q 8.53 3.61 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.40 0.00 0.00 0.00 0.00 0.00 2.32 2.64 0.00 72 R 8.27 4.62 0.00 1.76 1.80 0.00 3.39 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 73 P 0.00 4.60 0.00 2.18 2.13 0.00 3.90 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 74 G 8.06 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00